{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.798067 0.114193 ] [ 0.25 0.298067 0.385807 ] [ 0.75 0.201933 0.885807 ] [ 0.75 0.701933 0.614193 ] [ 0.25 0.695596 0.415815 ] [ 0.25 0.195596 0.084185 ] [ 0.75 0.304404 0.584185 ] [ 0.75 0.804404 0.915815 ] [ 0.75 0.554372 0.179847 ] [ 0.75 0.054372 0.320153 ] [ 0.25 0.445628 0.820153 ] [ 0.25 0.945628 0.679847 ] [ 0.25 0.877652 0.038347 ] [ 0.25 0.377652 0.461653 ] [ 0.75 0.122348 0.961653 ] [ 0.75 0.622348 0.538347 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "Pb" "Pb" "Pb" "Pb" "Br" "Br" "Br" "Br" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.14855016 "source-unit" "angstrom" } "b" { "source-value" 7.50472271 "source-unit" "angstrom" } "c" { "source-value" 10.17900233 "source-unit" "angstrom" } }